[MMTK] Re: A question about MMTK

Konrad Hinsen hinsen@cnrs-orleans.fr
Fri, 14 Feb 2003 14:09:43 +0100


fang_hui writes: 

>  I want to know if I can recover the parameters from heattest.nc,
> heattest.pdb, heattest.dcd, cooltest.nc, cooltest.pdb and cooltest.dcd. Or 
> the ideal result is just a one from many random results.

You can recover *some* of the parameters from the netCDF files. Type 

 ncdump -h heattest.nc 

and look at the entry "history" for the MD parameters. You can also retrieve 
the complete system definition at the start of the trajectory by opening it 
for reading. 

Konrad